Introducing Dinamo: A Package for Calculating Protein Circular Dichroism using Classical Electromagnetic Theory

The dipole interaction model is a classical electromagnetic theory that has successfully been able to reproduce the experimental circular dichroism (CD) for the π-π∗ transitions for peptides and proteins. This theoretical model, pioneered by Jon B. Applequist, has been assembled into a package DInaMo that is written in C and Fortran allowing for treatment of whole proteins. The program reads Protein Data Bank formatted files of structures...